| CAS Number | 1802977-61-2 |
| Catalog Number | AG00ABS5(AGN-PC-0WNHDZ) |
| Chemical Name | GNE-140 (racemate) |
| IUPAC Name | 3-(2-chlorophenyl)sulfanyl-6-(4-morpholin-4-ylphenyl)-6-thiophen-3-ylpiperidine-2,4-dione |
| InChI | InChI=1S/C25H23ClN2O3S2/c26-20-3-1-2-4-22(20)33-23-21(29)15-25(27-24(23)30,18-9-14-32-16-18)17-5-7-19(8-6-17)28-10-12-31-13-11-28/h1-9,14,16,23H,10-13,15H2,(H,27,30) |
| InChI Key | GLDDJXYFHWRGPI-UHFFFAOYSA-N |
| MDL Number | MFCD30489754 |
| Molecular Formula | C25H23ClN2O3S2 |
| Molecular Weight | 499.0447 |
| SMILES | O=C(C1SC2=CC=CC=C2Cl)NC(C3=CSC=C3)(C4=CC=C(N5CCOCC5)C=C4)CC1=O |
| Synonyms | GNE-140 (racemate),
GNE-140 racemate,
CHEMBL3335792,
1802977-61-2,
SCHEMBL17100418,
BDBM50103567,
AKOS032945061,
CS-5958,
SB18723,
HY-100742,
GNE-140,
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| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 498.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 499.04g/mol |
| Monoisotopic Mass | 498.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number